2-[5-cyano-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[5-cyano-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]ethyl-diethyl-azanium chloride Openeye Name: 2-[5-cyano-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]ethyl-diethyl-ammonium chloride CAS Name: 2-[5-cyano-2-[(4-ethoxyphenyl)methyl]-1-benzimidazolyl]ethyl-diethylammonium chloride IUPAC Name: 2-[5-cyano-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]ethyl-diethylazanium chloride Traditional Name: 2-[5-cyano-2-(4-ethoxybenzyl)benzimidazol-1-yl]ethyl-diethyl-ammonium chloride Formula: C23H29ClN4O MolecularWeight: 412.95556

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=C(C=C(C=C2)C#N)N=C1CC3=CC=C(C=C3)OCC.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN1C2=C(C=C(C=C2)C#N)N=C1CC3=CC=C(C=C3)OCC.[Cl-]

InChI

InChI=1S/C23H28N4O.ClH/c1-4-26(5-2)13-14-27-22-12-9-19(17-24)15-21(22)25-23(27)16-18-7-10-20(11-8-18)28-6-3;/h7-12,15H,4-6,13-14,16H2,1-3H3;1H